2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide

C11H22N2O2S — CID 59641762

IUPAC2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)N1CCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C11H22N2O2S/c1-11(2,3)12-7-5-10(9-12)13-6-4-8-16(13,14)15/h10H,4-9H2,1-3H3
InChIKeyLQUYLRJTGGRDFN-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.89
Rot. Bonds1

About 2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide

2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 59641762) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID59641762
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)N1CCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C11H22N2O2S/c1-11(2,3)12-7-5-10(9-12)13-6-4-8-16(13,14)15/h10H,4-9H2,1-3H3
InChIKeyLQUYLRJTGGRDFN-UHFFFAOYSA-N
XLogP0.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-(2,2-dimethylpropylsulfonyl)piperidin-3-yl]-1,2-thiazolidine 1,1-dioxide
CID 124890547
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
CID 146082093
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine
CID 61349589
2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 103655491
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
CID 166567506
1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
CID 167291830
tert-butyl (2S)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 119039985
(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
CID 166567380
4-(1-tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
CID 43653701
2-[1-(2-cyclohexylethylsulfonyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
CID 128777325

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide (CID 59641762) is 2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide is CC(C)(C)N1CCC(N2CCCS2(=O)=O)C1.
What is the InChIKey of 2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LQUYLRJTGGRDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2,3)12-7-5-10(9-12)13-6-4-8-16(13,14)15/h10H,4-9H2,1-3H3.
What are the key properties of 2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide?
2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 246.38 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpyrrolidin-3-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 59641762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).